3-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
3-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0538 |
| Compound Name: | 3-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1ccc(CCNC(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3195 |
| logD: | 3.3195 |
| logSw: | -3.6027 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.877 |
| InChI Key: | IWUQSZGBNNGKPD-UHFFFAOYSA-N |